| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:14 UTC |
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| Update Date | 2025-03-21 18:33:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093795 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C21H21NO4 |
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| Molecular Mass | 351.1471 |
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| SMILES | COc1cc(CC2COC(=O)C2Cc2c[nH]c3ccccc23)ccc1O |
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| InChI Key | SONNBISOIWOFMY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspyrrolestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherindole1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compoundindole or derivativesmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterpyrrolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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